SCHEMBL831313

SCHEMBL831313

Cc1ccc(-c2cc(C(F)(F)F)c(C(=O)O)c(OCC3CCCC3)n2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.42
PTGS2 P35354 3/20 0.41
PTGS1 P23219 1/20 0.41
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FFAR4 Q5NUL3 4/20 0.40
CNR2 P34972 2/20 0.38
SYK P43405 1/20 0.38
MDM2 Q00987 1/20 0.38
RBP4 P02753 5/20 0.38
TTR P02766 5/20 0.38
AKR1B10 O60218 1/20 0.37
AKR1C4 P17516 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL831459 0.96 KMO (0.43) KMOALDH1A1L3MBTL1FFAR4CNR2
SCHEMBL831823 0.87 KMO (0.42) KMOALDH1A1L3MBTL1FFAR4AKR1B10
SCHEMBL832007 0.87 ALDH1A1 (0.42) KMOALDH1A1L3MBTL1FFAR4CNR2
SCHEMBL832823 0.85 KMO (0.42) KMOPTGS1ALDH1A1L3MBTL1FFAR4
SCHEMBL829626 0.85 ALDH1A1 (0.50) KMOALDH1A1L3MBTL1AKR1B10AKR1C4
SCHEMBL839946 0.85 MDM2 (0.40) KMOALDH1A1L3MBTL1SYKMDM2
SCHEMBL831395 0.84 MDM2 (0.40) KMOALDH1A1L3MBTL1SYKMDM2
SCHEMBL830072 0.82 XDH (0.45) KMOALDH1A1L3MBTL1SYKAKR1B10
SCHEMBL831013 0.81 KMO (0.45) KMOPTGS2PTGS1ALDH1A1L3MBTL1
SCHEMBL832288 0.81 KMO (0.43) KMOALDH1A1L3MBTL1AKR1B10AKR1C4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143411-B2 Substituted 6-phenylnicotinic acids and their use BAYER ANIMAL HEALTH GMBH (DE) 2012-03-27 US disclosed
US-8143411-B2 Substituted 6-phenylnicotinic acids and their use BAYER ANIMAL HEALTH GMBH (DE) 2012-03-27 US disclosed
US-8143411-B2 Substituted 6-phenylnicotinic acids and their use BAYER ANIMAL HEALTH GMBH (DE) 2012-03-27 US disclosed
US-20100234432-A1 Substituted 6-phenylnicotinic acids and their use BAYER ANIMAL HEALTH GMBH (DE) 2010-09-16 US disclosed
US-20100234432-A1 Substituted 6-phenylnicotinic acids and their use BAYER ANIMAL HEALTH GMBH (DE) 2010-09-16 US disclosed
US-20100234432-A1 Substituted 6-phenylnicotinic acids and their use BAYER ANIMAL HEALTH GMBH (DE) 2010-09-16 US disclosed
WO-2009033561-A1 SUBSTITUTED 6-PHEYLNICOTINIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100234432-A1 Substituted 6-phenylnicotinic acids and their use SLC5A6, FABP3, NAPRT KMO 2954/4885PTGS2 2616/4885PTGS1 2015/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.